Vitas-M small molecule compound
ethyl 2-{[(3-chloro-7-nitro-1-benzothiophen-2-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK355668
SMILES CCOC(=O)c1c(sc2c1CCCC2)NC(=O)c1sc2c(c1Cl)cccc2[N+](=O)[O-]
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C20H17ClN2O5S2 MW 464.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN2O5S2/c1-2-28-20(25)14-10-6-3-4-9-13(10)29-19(14)22-18(24)17-15(21)11-7-5-8-12(23(26)27)16(11)30-17/h5,7-8H,2-4,6,9H2,1H3,(H,22,24)InChIKey
BEUADDPJWWXBGV-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C4=C(S3)C(=CC=C4)(N+)(=O)(O))Cl
CCOC(=O)c1c(sc2c1CCCC2)NC(=O)c1sc2c(c1Cl)cccc2(N+)(=O)(O)
ethyl2(((3chloro7nitro1benzothiophen2yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((3chloro7nitro1benzothiophene2carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC20H17ClN2O5S2c122820(25)1410634913(10)2919(14)2218(24)1715(21)1175812(23(26)27)16(11)3017h578H2469H21H3(H2224)
MFCD11852032
ZINC000019894080
ZINC19894080
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